2-ethyl-4,9-dimethylidene-1H-1,3-diazonine

C11H14N2 — CID 138749778

IUPAC2-ethyl-4,9-dimethylidene-1H-1,3-diazonine
SMILESC=c1ccccc(=C)[nH]c(CC)n1
InChIInChI=1S/C11H14N2/c1-4-11-12-9(2)7-5-6-8-10(3)13-11/h5-8H,2-4H2,1H3,(H,12,13)/b7-5-,8-6-
InChIKeyWNZZYYXJYHUVLA-SFECMWDFSA-N
MW174.25 g/mol
LogP0.92
Rot. Bonds1

About 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine

2-ethyl-4,9-dimethylidene-1H-1,3-diazonine (PubChem CID 138749778) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine.

Molecular Properties

Compound Name2-ethyl-4,9-dimethylidene-1H-1,3-diazonine
PubChem CID138749778
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-ethyl-4,9-dimethylidene-1H-1,3-diazonine
SMILESC=c1ccccc(=C)[nH]c(CC)n1
InChIInChI=1S/C11H14N2/c1-4-11-12-9(2)7-5-6-8-10(3)13-11/h5-8H,2-4H2,1H3,(H,12,13)/b7-5-,8-6-
InChIKeyWNZZYYXJYHUVLA-SFECMWDFSA-N
XLogP0.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine?
The IUPAC name of 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine (CID 138749778) is 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine.
What is the SMILES notation for 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine?
The canonical SMILES for 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine is C=c1ccccc(=C)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine?
The InChIKey is WNZZYYXJYHUVLA-SFECMWDFSA-N. The full InChI is InChI=1S/C11H14N2/c1-4-11-12-9(2)7-5-6-8-10(3)13-11/h5-8H,2-4H2,1H3,(H,12,13)/b7-5-,8-6-.
What are the key properties of 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine?
2-ethyl-4,9-dimethylidene-1H-1,3-diazonine has a molecular weight of 174.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,9-dimethylidene-1H-1,3-diazonine is sourced from PubChem (CID 138749778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).